6533b857fe1ef96bd12b5032

RESEARCH PRODUCT

1-Benzyl-1H-benzotriazole 3-oxide-1-hy-droxy-1H-benzotriazole (1/1).

Dieter SchollmeyerSamuel Robinson JebasB. Ravindran Durai NayagamP. Selvarathy Grace

subject

BenzotriazoleHydrogen bondOxide1h benzotriazoleGeneral ChemistryDihedral angleCondensed Matter PhysicsRing (chemistry)BioinformaticsOrganic PapersCrystalchemistry.chemical_compoundCrystallographychemistryMoleculeGeneral Materials Science

description

In the title compound, C6H5N3O·C13H11N3O, the benzotriazole ring system in the 1-benzyl-1H-benzotriazole 3-oxide (A) molecule is close to being planar (r.m.s. deviation = 0.011 Å); its mean plane forms a dihedral angle of 67.56 (7)° with that of the attached phenyl ring. The benzotriazole ring system in the 1-hydroxybenzotriazole (B) molecule is also close to being planar (r.m.s. deviation = 0.010 Å). In the crystal, weak C—H...O and C—H...π interactions are present. TheAandBmolecules are linked by an O—H...N hydrogen bond.

yearjournalcountryeditionlanguage
2012-07-10Acta crystallographica. Section E, Structure reports online
10.1107/s1600536812030061https://pubmed.ncbi.nlm.nih.gov/22904856